(E)-1-(4-chloranyl-1-methyl-pyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-chloranyl-1-methyl-pyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-chloro-1-methyl-pyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one CAS Name: (E)-1-(4-chloro-1-methyl-3-pyrazolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propen-1-one IUPAC Name: (E)-1-(4-chloro-1-methylpyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-chloro-1-methyl-pyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one Formula: C14H10ClN3O5 MolecularWeight: 335.6993

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)Cl

InChI

InChI=1S/C14H10ClN3O5/c1-17-6-9(15)14(16-17)11(19)3-2-8-4-12-13(23-7-22-12)5-10(8)18(20)21/h2-6H,7H2,1H3/b3-2+